1-benzyl-3-[(3-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-hydroxy-6-methylpyridin-2-one

C26H30ClN3O3 — CID 54728993

IUPAC1-benzyl-3-[(3-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)c(C(c2cccc(Cl)c2)N2CCN(CCO)CC2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C26H30ClN3O3/c1-19-16-23(32)24(26(33)30(19)18-20-6-3-2-4-7-20)25(21-8-5-9-22(27)17-21)29-12-10-28(11-13-29)14-15-31/h2-9,16-17,25,31-32H,10-15,18H2,1H3
InChIKeyAJVZZUQUXCURML-UHFFFAOYSA-N
MW468.00 g/mol
LogP3.26
Rot. Bonds7

About 1-benzyl-3-[(3-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-hydroxy-6-methylpyridin-2-one

1-benzyl-3-[(3-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 54728993) has the molecular formula C26H30ClN3O3 and a molecular weight of 468.00 g/mol. Its IUPAC name is 1-benzyl-3-[(3-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[(3-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-hydroxy-6-methylpyridin-2-one
PubChem CID54728993
Molecular FormulaC26H30ClN3O3
Molecular Weight468.00 g/mol
Exact Mass467.20
IUPAC Name1-benzyl-3-[(3-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)c(C(c2cccc(Cl)c2)N2CCN(CCO)CC2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C26H30ClN3O3/c1-19-16-23(32)24(26(33)30(19)18-20-6-3-2-4-7-20)25(21-8-5-9-22(27)17-21)29-12-10-28(11-13-29)14-15-31/h2-9,16-17,25,31-32H,10-15,18H2,1H3
InChIKeyAJVZZUQUXCURML-UHFFFAOYSA-N
XLogP3.26
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.00
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-3-[(3-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-hydroxy-6-methylpyridin-2-one with MolForge

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Related Compounds

1-benzyl-3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 92766008
3-[(S)-(3-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-4-hydroxy-6-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 92774215
3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one
CID 54739671
3-[(R)-(3-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54739367
1-benzyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 92766001
1-ethyl-4-hydroxy-3-[[4-(2-hydroxyethyl)piperazin-1-yl]-thiophen-2-ylmethyl]-6-methylpyridin-2-one
CID 54692593
1-benzyl-4-hydroxy-6-methyl-3-[(4-phenylpiperazin-1-yl)-pyridin-4-ylmethyl]pyridin-2-one
CID 54729077
3-[(R)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54739375
1-ethyl-3-[(4-ethylpiperazin-1-yl)-(3-fluorophenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729071
3-[(S)-(4-benzylpiperidin-1-yl)-phenylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 92526367
1-ethyl-3-[(4-ethylpiperazin-1-yl)-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729065
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-phenyl(piperidin-1-yl)methyl]pyridin-2-one
CID 92693364

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(3-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-benzyl-3-[(3-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-hydroxy-6-methylpyridin-2-one (CID 54728993) is 1-benzyl-3-[(3-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-benzyl-3-[(3-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-benzyl-3-[(3-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-hydroxy-6-methylpyridin-2-one is Cc1cc(O)c(C(c2cccc(Cl)c2)N2CCN(CCO)CC2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[(3-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is AJVZZUQUXCURML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O3/c1-19-16-23(32)24(26(33)30(19)18-20-6-3-2-4-7-20)25(21-8-5-9-22(27)17-21)29-12-10-28(11-13-29)14-15-31/h2-9,16-17,25,31-32H,10-15,18H2,1H3.
What are the key properties of 1-benzyl-3-[(3-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-hydroxy-6-methylpyridin-2-one?
1-benzyl-3-[(3-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 468.00 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(3-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 54728993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).